N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide

C22H26N2O2 — CID 11501191

IUPACN-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C22H26N2O2/c25-22(24(16-17-7-6-8-17)18-13-14-23-15-18)20-11-4-5-12-21(20)26-19-9-2-1-3-10-19/h1-5,9-12,17-18,23H,6-8,13-16H2/t18-/m0/s1
InChIKeyWQAXZHUMPQMMEW-SFHVURJKSA-N
MW350.46 g/mol
LogP4.08
Rot. Bonds6

About N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide

N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 11501191) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID11501191
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@H]1CCNC1
InChIInChI=1S/C22H26N2O2/c25-22(24(16-17-7-6-8-17)18-13-14-23-15-18)20-11-4-5-12-21(20)26-19-9-2-1-3-10-19/h1-5,9-12,17-18,23H,6-8,13-16H2/t18-/m0/s1
InChIKeyWQAXZHUMPQMMEW-SFHVURJKSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 11501191) is N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide is O=C(c1ccccc1Oc1ccccc1)N(CC1CCC1)[C@H]1CCNC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is WQAXZHUMPQMMEW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(24(16-17-7-6-8-17)18-13-14-23-15-18)20-11-4-5-12-21(20)26-19-9-2-1-3-10-19/h1-5,9-12,17-18,23H,6-8,13-16H2/t18-/m0/s1.
What are the key properties of N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11501191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).